>compound Hesperidin_Hesperidin
#instrument UPLC Q-Tof Premier, Waters
>formula C28H34O15
#smiles c(O)(c3)c(C(=O)2)c(cc3OC(O4)C(O)C(O)C(O)C(COC(O5)C(O)C(C(C5C)O)O)4)OC(C2)c(c1)ccc(c1O)OC
#RECORD LC-ESI-QTOF_train_data/PR100354.txt;LC-ESI-QTOF_train_data/PR100801.txt
>charge 1
>ionization [M+H]+
>parentmass 611.19756

>collision 5-60
71.0507 274.1
85.0299 404.4
129.0564 179.0
153.0198 557.5
177.056 414.5
179.0358 104.2
195.0307 166.0
219.0307 74.92
245.0454 68.14
263.0567 99.52
303.0877 1596.0
345.0984 103.5
369.0991 64.81
413.1249 111.0
431.1354 119.6
449.1454 273.4
465.1396 184.1
611.1976 99.48

>collision 5-60
151.0051 432.1
164.0128 727.9
242.0609 422.3
286.0518 575.7
301.0735 6410.0
609.1819 2429.0

